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Mechanism of Excited-State Proton Transfer in 1-Naphthol-Piperidine Clusters

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Phys. Chem. Chem. Phys., 2015, Accepted Manuscript
DOI: 10.1039/C5CP03620H, Paper
Toshihiko Shimizu, Shun Manita, Shunpei Yoshikawa, Kenro Hashimoto, Mitsuhiko Miyazaki, Masaaki Fujii
The geometries of 1-naphthol-(piperidine)n (1-NpOH-(Pip)n) (n = 0-3) clusters have been calculated by using density functional theory (DFT) and time-dependent density functional theory (TD-DFT) methods to investigate excited-state proton transfer...
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